Geometry & MOs

Info

ID:	173211
PubChem CID:	75611598
Reduced:	ClN2O3H19C26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	444.102961
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methyl-2-nitrophenyl)carbamoyloxyimino]ethylideneamino] N-(4-methyl-2-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)OC3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations